3-bicyclo[4.1.0]heptanylmethanol

C8H14O — CID 20705512

IUPAC3-bicyclo[4.1.0]heptanylmethanol
SMILESOCC1CCC2CC2C1
InChIInChI=1S/C8H14O/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2
InChIKeyBVPIKJOUCKPVHU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds1

About 3-bicyclo[4.1.0]heptanylmethanol

3-bicyclo[4.1.0]heptanylmethanol (PubChem CID 20705512) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-bicyclo[4.1.0]heptanylmethanol.

Molecular Properties

Compound Name3-bicyclo[4.1.0]heptanylmethanol
PubChem CID20705512
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-bicyclo[4.1.0]heptanylmethanol
SMILESOCC1CCC2CC2C1
InChIInChI=1S/C8H14O/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2
InChIKeyBVPIKJOUCKPVHU-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.1.0]heptanylmethanol?
The IUPAC name of 3-bicyclo[4.1.0]heptanylmethanol (CID 20705512) is 3-bicyclo[4.1.0]heptanylmethanol.
What is the SMILES notation for 3-bicyclo[4.1.0]heptanylmethanol?
The canonical SMILES for 3-bicyclo[4.1.0]heptanylmethanol is OCC1CCC2CC2C1.
What is the InChIKey of 3-bicyclo[4.1.0]heptanylmethanol?
The InChIKey is BVPIKJOUCKPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2.
What are the key properties of 3-bicyclo[4.1.0]heptanylmethanol?
3-bicyclo[4.1.0]heptanylmethanol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.1.0]heptanylmethanol is sourced from PubChem (CID 20705512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).